| 811456-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• CAS: 811456-11-8
• 化学式: C₄₂H₂₄O₂
• 分子量: 560.651
• InChiKey: FPQQKFOLBWOGRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  44
• 可旋转键数：
  2
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2-二碘苯 、 在 钯 copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Dynamic redox systems based on bis(spiroxanthene)-type donors with a polycyclic aromatic hydrocarbon: preparation, X-ray structures, and electrochromic response with fluorescence change

  摘要：

  The long C-C bonds (1.614(2)-1.630(2) Angstrom) in newly prepared title donors 2-6 are cleaved upon two-electron oxidation to afford the bond-dissociated dicationic dyes 2(2+)-6(2+), whose electron affinities are stronger than the corresponding biphenyl-2,2'-diyl dications 1(2+) due to the spatial proximity of two xanthenylium units. Not only UV-vis but also fluorescence spectra changed drastically upon electrolysis since only colorless neutral donors are fluorescent. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.09.080
• 作为产物：
  描述：

  在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以64%的产率得到
  参考文献：
  名称：

  Dynamic redox systems based on bis(spiroxanthene)-type donors with a polycyclic aromatic hydrocarbon: preparation, X-ray structures, and electrochromic response with fluorescence change

  摘要：

  The long C-C bonds (1.614(2)-1.630(2) Angstrom) in newly prepared title donors 2-6 are cleaved upon two-electron oxidation to afford the bond-dissociated dicationic dyes 2(2+)-6(2+), whose electron affinities are stronger than the corresponding biphenyl-2,2'-diyl dications 1(2+) due to the spatial proximity of two xanthenylium units. Not only UV-vis but also fluorescence spectra changed drastically upon electrolysis since only colorless neutral donors are fluorescent. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.09.080